Geometry & MOs

Info

ID:	405498
PubChem CID:	135074175
Reduced:	BrFOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-32.88
Dipole, Da:	2.28
IP(EA), eV:	-9.63(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-acetyl-3-(pyridine-2-carbonylamino)but-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2)(F)Br

DOS

IR

Vibrations